N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide

C16H24FN3O3S — CID 171691004

IUPACN-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide
SMILESCN(CC1CCN(CC(=O)Nc2ccccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C16H24FN3O3S/c1-19(24(2,22)23)11-13-7-9-20(10-8-13)12-16(21)18-15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyTVOCQNMQYWTREI-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.37
Rot. Bonds6

About N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide (PubChem CID 171691004) has the molecular formula C16H24FN3O3S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide
PubChem CID171691004
Molecular FormulaC16H24FN3O3S
Molecular Weight357.45 g/mol
Exact Mass357.15
IUPAC NameN-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide
SMILESCN(CC1CCN(CC(=O)Nc2ccccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C16H24FN3O3S/c1-19(24(2,22)23)11-13-7-9-20(10-8-13)12-16(21)18-15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3,(H,18,21)
InChIKeyTVOCQNMQYWTREI-UHFFFAOYSA-N
XLogP1.37
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluoroanilino)-2-oxoethyl]-N,N-dimethylpiperidine-4-carboxamide
CID 171701663
N-(2-fluorophenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide
CID 54923773
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 171701465
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 90493960
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8746898
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 114876510
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide (CID 171691004) is N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide is CN(CC1CCN(CC(=O)Nc2ccccc2F)CC1)S(C)(=O)=O.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide?
The InChIKey is TVOCQNMQYWTREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3S/c1-19(24(2,22)23)11-13-7-9-20(10-8-13)12-16(21)18-15-6-4-3-5-14(15)17/h3-6,13H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide has a molecular weight of 357.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 171691004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).